| SpectraBase Compound ID | 6PIiIBnmtJP |
|---|---|
| InChI | InChI=1S/C11H17NO4/c1-3-5-9-15-10(13)6-7-12-11(14)16-8-4-2/h2H,3,5-9H2,1H3,(H,12,14) |
| InChIKey | YBDROXOMAYUIOX-UHFFFAOYSA-N |
| Mol Weight | 227.26 g/mol |
| Molecular Formula | C11H17NO4 |
| Exact Mass | 227.115758 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DtWt14XDxwd |
|---|---|
| Name | .beta.-Alanine, N-propargyloxycarbonyl-, butyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 227.115758027 u |
| Formula | C11H17NO4 |
| InChI | InChI=1S/C11H17NO4/c1-3-5-9-15-10(13)6-7-12-11(14)16-8-4-2/h2H,3,5-9H2,1H3,(H,12,14) |
| InChIKey | YBDROXOMAYUIOX-UHFFFAOYSA-N |
| Molecular Weight | 227.260 g/mol |
| SMILES | C#CCOC(NCCC(OCCCC)=O)=O |